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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050590
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.1891 7.268396   0  2  0    2   12.1828  7.272125   -0.0063 -0.003729
   17.8585 4.968810   1  1  0    2   17.8713  4.965278    0.0128  0.003531
   19.2897 4.602830   0  0  1    2   19.2940  4.601804    0.0043  0.001027
   20.2517 4.386065   0  1  1    2   20.2453  4.387430   -0.0064 -0.001365
   22.8578 3.891059   0  2  1    2   22.8723  3.888628    0.0145  0.002431
   25.7863 3.455033  -1  2  1    2   25.7943  3.453974    0.0080  0.001059
   26.7289 3.335189   0  3  1    2   26.7090  3.337637   -0.0199 -0.002448
   31.0018 2.884227   1  2  1    2   30.9883  2.885454   -0.0135 -0.001227
   31.3537 2.852630   0  4  1    2   31.3500  2.852960   -0.0037 -0.000330
   33.5809 2.668225  -1  4  1    2   33.5920  2.667369    0.0111  0.000856
   33.9218 2.642169   2  0  0    2   33.9329  2.641327    0.0111  0.000842
   35.2022 2.548882   1  5  0    2   35.2135  2.548090    0.0113  0.000793
   37.0813 2.423840   0  6  0    2   37.0781  2.424042   -0.0032 -0.000201
   39.1544 2.300074   0  0  2    2   39.1397  2.300902   -0.0147 -0.000828
   39.9954 2.253600  -2  3  1    2   39.9868  2.254065   -0.0086 -0.000466
   42.1163 2.144827   0  6  1    2   42.1192  2.144687    0.0029  0.000140
   43.0643 2.099757   2  0  1    2   43.0676  2.099602    0.0033  0.000155
   43.8784 2.062648  -1  6  1    2   43.8837  2.062413    0.0053  0.000235
   51.1342 1.785567   2  6  0    2   51.1227  1.785940   -0.0115 -0.000374
   53.1089 1.723707   1  4  2    2   53.1154  1.723512    0.0065  0.000195
   59.2145 1.559642  -1  1  3    2   59.2167  1.559588    0.0022  0.000054

 rmse = 0.00008521810
 
     A =5.4160(9)              B =14.544(2)               C =4.7179(4)           
 Alpha =90                  Beta =102.74(1)           Gamma =90                  
 
 Volume = 362.49(6)